SCHEMBL3115404

SCHEMBL3115404

Cn1cc(C2CCN(CCCC(N)=O)CC2)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
HTR6 P50406 2/20 0.51
HTR7 P34969 7/20 0.48
SLC6A4 P31645 2/20 0.48
HRH2 P25021 5/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3115414 0.84 SLC6A4 (0.58) DRD2HTR6HTR7SLC6A4
SCHEMBL6827705 0.84 DRD2 (0.52) DRD2HTR6HRH2
SCHEMBL11784884 0.84 DRD2 (0.65) DRD2SLC6A4
Hydrochloric Acid SCHEMBL11785189 0.83 DRD2 (0.64) DRD2SLC6A4
Hydrochloric Acid SCHEMBL6133316 0.82 SLC6A4 (0.59) DRD2HTR7SLC6A4
Hydrochloric Acid SCHEMBL7256348 0.81 DRD2 (0.56) DRD2HTR7SLC6A4
SCHEMBL5937247 0.79 ADRA1D (0.52) DRD2HTR7
SCHEMBL5937370 0.78 DRD2 (0.49) DRD2SLC6A4HRH2
SCHEMBL5937364 0.77 ALDH1A1 (0.57)
SCHEMBL5705162 0.77 RORC (0.51)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US claimed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP claimed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO claimed
US-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 US disclosed
EP-1907860-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2010-11-17 EP disclosed
US-20100178710-A1 Mass Labels ELECTROPHORETICS LIMITED (GB) 2010-07-15 US disclosed
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia GLAXO GROUP LIMITED (GB) 2006-03-09 US disclosed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100178710-A1 Mass Labels B2M, SRRM2, CCNB1 DRD2 3923/4885HTR6 4517/4885HTR7 4477/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 DRD2 1008/4885HTR6 705/4885HTR7 692/4885
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia LDLR, NR1H2, NR1H3 DRD2 662/4885HTR6 768/4885HTR7 711/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.